methyl N-fluoro-N-(4-octoxyphenyl)carbamate

C16H24FNO3 — CID 156795675

IUPACmethyl N-fluoro-N-(4-octoxyphenyl)carbamate
SMILESCCCCCCCCOc1ccc(N(F)C(=O)OC)cc1
InChIInChI=1S/C16H24FNO3/c1-3-4-5-6-7-8-13-21-15-11-9-14(10-12-15)18(17)16(19)20-2/h9-12H,3-8,13H2,1-2H3
InChIKeyQABHBTSOOFRGEG-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.88
Rot. Bonds9

About methyl N-fluoro-N-(4-octoxyphenyl)carbamate

methyl N-fluoro-N-(4-octoxyphenyl)carbamate (PubChem CID 156795675) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is methyl N-fluoro-N-(4-octoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-fluoro-N-(4-octoxyphenyl)carbamate
PubChem CID156795675
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Namemethyl N-fluoro-N-(4-octoxyphenyl)carbamate
SMILESCCCCCCCCOc1ccc(N(F)C(=O)OC)cc1
InChIInChI=1S/C16H24FNO3/c1-3-4-5-6-7-8-13-21-15-11-9-14(10-12-15)18(17)16(19)20-2/h9-12H,3-8,13H2,1-2H3
InChIKeyQABHBTSOOFRGEG-UHFFFAOYSA-N
XLogP4.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
N-methyl-N-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 102225702
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N-methyl-N-(4-octoxyphenyl)prop-2-enamide
CID 134245809
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 71261026
4-hexoxy-N,N-dimethylaniline
CID 19782341
1,4-dipentoxybenzene
CID 18314717
N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 91227714
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of methyl N-fluoro-N-(4-octoxyphenyl)carbamate?
The IUPAC name of methyl N-fluoro-N-(4-octoxyphenyl)carbamate (CID 156795675) is methyl N-fluoro-N-(4-octoxyphenyl)carbamate.
What is the SMILES notation for methyl N-fluoro-N-(4-octoxyphenyl)carbamate?
The canonical SMILES for methyl N-fluoro-N-(4-octoxyphenyl)carbamate is CCCCCCCCOc1ccc(N(F)C(=O)OC)cc1.
What is the InChIKey of methyl N-fluoro-N-(4-octoxyphenyl)carbamate?
The InChIKey is QABHBTSOOFRGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-3-4-5-6-7-8-13-21-15-11-9-14(10-12-15)18(17)16(19)20-2/h9-12H,3-8,13H2,1-2H3.
What are the key properties of methyl N-fluoro-N-(4-octoxyphenyl)carbamate?
methyl N-fluoro-N-(4-octoxyphenyl)carbamate has a molecular weight of 297.37 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-fluoro-N-(4-octoxyphenyl)carbamate is sourced from PubChem (CID 156795675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).